Information card for entry 1543342

Structure parameters

• Chemical name: 6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C7 H6 Br N3
• Calculated formula: C7 H6 Br N3
• SMILES: Brc1cc2[nH]c(nc2nc1)C
• Title of publication: 6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160766
• a: 11.0395 ± 0.0012 Å
• b: 6.4734 ± 0.0007 Å
• c: 11.1397 ± 0.0012 Å
• α: 90°
• β: 98.889 ± 0.001°
• γ: 90°
• Cell volume: 786.52 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes